Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate
TL;DR: Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate (CAS 25600-80-0) is a chemical compound with molecular formula C12H23ClO5S and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3-hexoxysulfinyloxybutanoate
Also Known As: ethyl 2-chloro-3-hexoxysulfinyloxybutanoate, SBQNJPMENLLVNG-UHFFFAOYSA, Ethyl 2-chloro-3-{[(hexyloxy)sulfinyl]oxy}butanoate, Butanoic acid,2-chloro-3-[[(hexyloxy)sulfinyl]oxy]-, ethyl ester
| Molecular Formula | C12H23ClO5S |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 314.09546 |
| Heavy Atoms | 19 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 25600-80-0 |
|---|---|
| SMILES | CCCCCCOS(=O)OC(C)C(C(=O)OCC)Cl |
| InChIKey | LAYWVHZTHSKSHC-UHFFFAOYSA-N |
Product Overview
Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate (CAS 25600-80-0), with molecular formula C12H23ClO5S and molecular weight 314.10 g/mol. IUPAC: ethyl 2-chloro-3-hexoxysulfinyloxybutanoate.
Chemical Property Profile of Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate
Property Insights of Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate
The XLogP value of 3.9 indicates that Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate. Following Lipinski's Rule of Five, Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate?
The CAS number of Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate is 25600-80-0.
What is the molecular formula of Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate?
The molecular formula of Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate is C12H23ClO5S.
What is the molecular weight of Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate?
The molecular weight of Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate is 314.10 g/mol.
Where can I buy Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate?
You can request a quote for Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-3-hexoxysulfinyloxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.